CG0

N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

Created:	2019-04-24
Last modified:	2020-10-28

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1 entries where CG0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	6

2D diagram of CG0

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Chemical Component Summary
Name	N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	~{N}4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
Formula	C₁₄ H₂₄ N₆
Molecular Weight	276.381
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCc1c(NC2CC2)nc(N)nc1N3CCN(C)CC3
SMILES	OpenEye OEToolkits	2.0.6	CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3
Canonical SMILES	CACTVS	3.385	CCc1c(NC2CC2)nc(N)nc1N3CCN(C)CC3
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3
InChI	InChI	1.03	InChI=1S/C14H24N6/c1-3-11-12(16-10-4-5-10)17-14(15)18-13(11)20-8-6-19(2)7-9-20/h10H,3-9H2,1-2H3,(H3,15,16,17,18)
InChIKey	InChI	1.03	UGBSJHLIBQEGBQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	154815494

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.